5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide

C18H18FN3OS — CID 164619960

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(F)cc3C)s2)n1
InChIInChI=1S/C18H18FN3OS/c1-11-8-14(19)4-6-16(11)20-18(23)17-7-5-15(24-17)10-22-13(3)9-12(2)21-22/h4-9H,10H2,1-3H3,(H,20,23)
InChIKeyGOJQVSFVEUKBNH-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.31
Rot. Bonds4

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide (PubChem CID 164619960) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
PubChem CID164619960
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(F)cc3C)s2)n1
InChIInChI=1S/C18H18FN3OS/c1-11-8-14(19)4-6-16(11)20-18(23)17-7-5-15(24-17)10-22-13(3)9-12(2)21-22/h4-9H,10H2,1-3H3,(H,20,23)
InChIKeyGOJQVSFVEUKBNH-UHFFFAOYSA-N
XLogP4.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazole scaffold, 7b
CID 25218474
Pyrazole scaffold, 7c
CID 25218475
(S)-1-(5-((2-aminopropanamido)methyl)thiophen-2-yl)-N-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 25218479
N-benzyl-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 680356
CB2 Inhibitor, 2
CID 16376054
Pyrazole scaffold, 10b
CID 25218478
5-methyl-N-(3-{N-[(1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-thiophenecarboxamide
CID 7308643
N-(4-{N-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-5-methyl-2-thiophenecarboxamide
CID 23097164
5-(1-(2-(benzylamino)ethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10246779
5-(1-benzyl-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10470023
N-hydroxy-5-(1-phenethyl-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 11723098
N-hydroxy-5-(1-(3-phenylpropyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 44418166

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide (CID 164619960) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(F)cc3C)s2)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide?
The InChIKey is GOJQVSFVEUKBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-11-8-14(19)4-6-16(11)20-18(23)17-7-5-15(24-17)10-22-13(3)9-12(2)21-22/h4-9H,10H2,1-3H3,(H,20,23).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 164619960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).